SCHEMBL12250963

SCHEMBL12250963

O=C(Nc1cc(COc2nsnc2N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ccn1)OCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GPR52 Q9Y2T5 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ TRPV1 Q8NER1 3/20 0.37
▸ PDGFRB P09619 4/20 0.37
▸ FLT3 P36888 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12250961 0.94 TRPV1 (0.40) RXFP1TRPV1
SCHEMBL12250971 0.93 BRAF (0.39) HTR2AMEN1KMT2ATRPV1PDGFRB
SCHEMBL2385761 0.90 ALDH1A1 (0.41) KCNH2ALDH1A1ALOX15TSHRMAPK1
SCHEMBL12250987 0.88 TRPV1 (0.44) ALDH1A1TRPV1
SCHEMBL2381536 0.87 TRPV1 (0.43) MAPK1HSD17B10TRPV1PDGFRB
SCHEMBL12251016 0.86 TRPV1 (0.38) MAPK1HSD17B10TRPV1PDGFRB
SCHEMBL5572916 0.86 TRPV1 (0.45) TRPV1PDGFRB
SCHEMBL2421551 0.86 TRPV1 (0.43) HSD17B10TRPV1PDGFRB
SCHEMBL2385060 0.85 RXFP1 (0.46) SLC6A2HTR2AOPRK1HTR2BSLC6A3
SCHEMBL12250917 0.85 TRPV1 (0.42) TRPV1PDGFRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR SLC6A2 2845/4885HTR2A 2212/4885OPRK1 3771/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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